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Fix blank lines in gaussian system format #315

Merged
merged 1 commit into from
Jul 30, 2024
Merged

Fix blank lines in gaussian system format #315

merged 1 commit into from
Jul 30, 2024

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bennybp
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@bennybp bennybp commented Jul 29, 2024

Gaussian doesn't seem tolerant of blank lines after the commented header and the start of the basis set for the system library format. So this puts in a hack to remove those lines.

Fixes #313

@bennybp bennybp merged commit eacdd02 into master Jul 30, 2024
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@bennybp bennybp deleted the fix_g94lib branch December 12, 2024 23:51
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Gaussian system library cannot be directly used in SP (related) calculations
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